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Information card for entry 7153122
Preview
| Coordinates | 7153122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H17 N O4 |
|---|---|
| Calculated formula | C23 H17 N O4 |
| SMILES | O1COc2c1cc(C1(CC(=O)c3ccccc3)c3c(NC1=O)cccc3)cc2 |
| Title of publication | Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center. |
| Authors of publication | Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2013 |
| Journal volume | 11 |
| Journal issue | 40 |
| Pages of publication | 6984 - 6993 |
| a | 10.8852 ± 0.0016 Å |
| b | 12.4799 ± 0.0018 Å |
| c | 13.7493 ± 0.0018 Å |
| α | 90° |
| β | 103.481 ± 0.005° |
| γ | 90° |
| Cell volume | 1816.3 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0864 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7153122.cif |
| 288505 | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
7153122.cif |
| 180317 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/31. |
7153122.cif |
| 88962 | 2013-10-09 | cif/ Adding structures of 7153121, 7153122, 7153123 via cif-deposit CGI script. |
7153122.cif |
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